Compound Detail
CHEMBL4216214
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Basic Information
| ChEMBL ID | CHEMBL4216214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFKKYVMUDLMESU-SUMWQHHRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.43
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 7.72 | 6.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 19.0 | nM | 7.72 | Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bro... | 29170712 |
| Histone acetyltransferase KAT2B | IC50 | = | 1900.0 | nM | 5.72 | PCAF AlphaLisa Binding Assay: His/Flag epitope tagged PCAF719-832 bromodomain wa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29170712 | 10.1039/C6MD00373G | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine